UCSF

ZINC04878549

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 27 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.04 10.24 -10.45 2 7 0 85 401.257 3
Lo Low (pH 4.5-6) 4.22 10.55 -38.59 3 7 1 90 402.265 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )